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The third batch for the year has just been sent out to Dundee for screening against _P. falciparum_. This is the largest set we've sent this year and it contains a number of key compounds.
UPDATE 6…
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Hi,
I have the following validator error (example)
```
20:53:36.262 ERROR massbank.cli.Validator - ACCESSION: MSBNK-BAFG-CSL23102516856
20:53:36.262 ERROR massbank.cli.Validator - ^
20:53:36.262 …
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So far copy/paste works only for molfiles. It would be nice if curation interface could recognize other formats, convert them on the fly to molfile and load it into sketcher. This should be done on th…
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See also #4 for the long discussion on this topic.
I would prefer to use CHEBI:1234 ; simply because then people see where the identifier comes from with more ease. HMDB also includes their databas…
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We already had a discussion (starting [here](https://github.com/BioSchemas/specifications/issues/321#issuecomment-526893861)) about adding `hasBioPolymerSequence` as a sub-property of `hasRepresentati…
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```
I've written a little comparison script:
from cinfony import cdk, rdk, obabel, webel
for mod in cdk, rdk, obabel, webel:
print mod.__name__
print repr(mod.readstring('smi','CCC'…
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I have recently come across a script that can be incorporated directly into Google Sheets which allows for automatic structure generation by converting strings to an image through the [Chemical Identi…
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I am going to eliminate the drop down for name, inchi, tag, synonym and formula. They will only be on the advanced search page. The functionality to search by INCHI, formula, and name will still be th…
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Hii ,
I tried to install the package in rstudio but installation failed.
Can you help me figure out the problem.
below is the error.
> library(devtools)
Loading required package: usethis
> ins…
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Today 10 compounds were shipped to University of North Carolina for kinase screening. In particular were picked couples of 5- and 8-isomers to see any complementary biological activity. As well few ac…